CHEBI:81065 - Penicillin X

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Penicillin X
ChEBI ID CHEBI:81065
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H18N2O5S
Net Charge 0
Average Mass 350.39000
Monoisotopic Mass 350.09364
InChI InChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1
InChIKey AZCVBVRUYHKWHU-MBNYWOFBSA-N
SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via penicillin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Penicillin X (CHEBI:81065) is a penicillin (CHEBI:17334)
Manual Xref Database
C17404 KEGG COMPOUND
View more database links
Registry Number Type Source
525-91-7 CAS Registry Number KEGG COMPOUND